3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide

C17H21N3O3 — CID 30865476

IUPAC3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)10-18-15(21)9-8-14-12(2)19-17(23)20(3)16(14)22/h4-7H,8-10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyMHDUECMUOJSQFH-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.94
Rot. Bonds5

About 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 30865476) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID30865476
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)10-18-15(21)9-8-14-12(2)19-17(23)20(3)16(14)22/h4-7H,8-10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyMHDUECMUOJSQFH-UHFFFAOYSA-N
XLogP0.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865528
2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
CID 30865584
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865553
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53046369
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057970
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 15988164
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110721777
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 30865597
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 30865476) is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)n(C)c2=O)cc1.
What is the InChIKey of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is MHDUECMUOJSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-6-13(7-5-11)10-18-15(21)9-8-14-12(2)19-17(23)20(3)16(14)22/h4-7H,8-10H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide?
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 30865476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).